N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine

C12H27N3 — CID 2736173

IUPACN-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCN1CCNCC1)C(C)C
InChIInChI=1S/C12H27N3/c1-11(2)15(12(3)4)10-9-14-7-5-13-6-8-14/h11-13H,5-10H2,1-4H3
InChIKeyIDWCYRNCJHGJAL-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine

N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 2736173) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID2736173
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCN1CCNCC1)C(C)C
InChIInChI=1S/C12H27N3/c1-11(2)15(12(3)4)10-9-14-7-5-13-6-8-14/h11-13H,5-10H2,1-4H3
InChIKeyIDWCYRNCJHGJAL-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine (CID 2736173) is N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CCN1CCNCC1)C(C)C.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is IDWCYRNCJHGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)15(12(3)4)10-9-14-7-5-13-6-8-14/h11-13H,5-10H2,1-4H3.
What are the key properties of N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 2736173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).